(2S)-2-[(2,6-dimethylphenyl)carbamoylamino]-3-methyl-butanoate

Systemtic Name: (2S)-2-[(2,6-dimethylphenyl)carbamoylamino]-3-methyl-butanoate Openeye Name: (2S)-2-[(2,6-dimethylphenyl)carbamoylamino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2,6-dimethylanilino)-oxomethyl]amino]-3-methylbutanoate IUPAC Name: (2S)-2-[(2,6-dimethylphenyl)carbamoylamino]-3-methylbutanoate Traditional Name: (2S)-2-[(2,6-dimethylphenyl)carbamoylamino]-3-methyl-butyrate Formula: C14H19N2O3- MolecularWeight: 263.31226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)NC(C(C)C)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)N[C@@H](C(C)C)C(=O)[O-]

InChI

InChI=1S/C14H20N2O3/c1-8(2)11(13(17)18)15-14(19)16-12-9(3)6-5-7-10(12)4/h5-8,11H,1-4H3,(H,17,18)(H2,15,16,19)/p-1/t11-/m0/s1